SCHEMBL16332328

SCHEMBL16332328

CNc1nc2cnc(Nc3cccc(OC)c3)cc2n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.51
▸ KMT2A Q03164 7/20 0.51
▸ USP2 O75604 4/20 0.51
▸ CYP1A2 P05177 4/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ CLK4 Q9HAZ1 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ ALK Q9UM73 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ PIK3CA P42336 2/20 0.47
▸ PRKDC P78527 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ PDGFRB P09619 2/20 0.46
▸ PDGFRA P16234 2/20 0.46
▸ CASP1 P29466 2/20 0.45
▸ CASP7 P55210 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16331298 0.90 PIK3CA (0.44) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL16331787 0.89 MAPK9 (0.51) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL16332766 0.88 PIK3CA (0.44) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL16331602 0.85 FLT3 (0.44) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL16332572 0.85 PIK3CA (0.48) MEN1KMT2APIK3CAPRKDCPOLB
SCHEMBL16331454 0.83 BRAF (0.49) MEN1KMT2AALKPOLBEGFR
SCHEMBL16331924 0.83 KDM1A (0.45) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL16332095 0.82 RAD52 (0.40) KMT2APIK3CAPRKDCMAPK1EGFR
SCHEMBL16332832 0.82 PIK3CA (0.48) MEN1KMT2AALDH1A1PIK3CAPRKDC
SCHEMBL16332602 0.82 GABRG2 (0.52) MEN1KMT2AALDH1A1LMNAPIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP claimed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP disclosed
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